5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C11H11BrF4N2O — CID 62814927

IUPAC5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C11H11BrF4N2O/c1-2-18(5-11(14,15)16)10(19)6-3-9(17)8(13)4-7(6)12/h3-4H,2,5,17H2,1H3
InChIKeyVCHLYHZLMQJLQM-UHFFFAOYSA-N
MW343.12 g/mol
LogP3.19
Rot. Bonds3

About 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide

5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62814927) has the molecular formula C11H11BrF4N2O and a molecular weight of 343.12 g/mol. Its IUPAC name is 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62814927
Molecular FormulaC11H11BrF4N2O
Molecular Weight343.12 g/mol
Exact Mass342.00
IUPAC Name5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C11H11BrF4N2O/c1-2-18(5-11(14,15)16)10(19)6-3-9(17)8(13)4-7(6)12/h3-4H,2,5,17H2,1H3
InChIKeyVCHLYHZLMQJLQM-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62815256
2,2,2-trifluoroethyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814761
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883881
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258
2-(dimethylamino)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814937

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 62814927) is 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VCHLYHZLMQJLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4N2O/c1-2-18(5-11(14,15)16)10(19)6-3-9(17)8(13)4-7(6)12/h3-4H,2,5,17H2,1H3.
What are the key properties of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 343.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62814927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).